Compound Detail
CHEMBL277580
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Basic Information
| ChEMBL ID | CHEMBL277580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAYKFPQXXHDSSF-UHFFFAOYSA-N |
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
266.1
MW (Da)
-1.77
ALogP
4
HBA
4
HBD
138.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.0 | 5.995 | 1000.0 | 2 |
| Geranylgeranyl pyrophosphate synthase CHEMBL4769 | IC50 | 4.2 | 4.19 | 63095.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human FPPS | 17963374 |
| Farnesyl pyrophosphate synthase | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of human FPPS | 17963374 |
| Geranylgeranyl pyrophosphate synthase | IC50 | = | 63095.73 | nM | 4.2 | Inhibition of human recombinant geranylgeranyl diphosphate synthase | 18800762 |
| Geranylgeranyl pyrophosphate synthase | IC50 | = | 66070.0 | nM | 4.18 | Inhibition of human recombinant geranylgeranyl diphosphate synthase | 18800762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17963374 | 10.1021/jm700991k | NCI-H460 | 2 |
| 17963374 | 10.1021/jm700991k | MCF7 | 2 |
| 17963374 | 10.1021/jm700991k | SF-268 | 2 |
| 17963374 | 10.1021/jm700991k | Farnesyl pyrophosphate synthase | 2 |
| 18800762 | 10.1021/jm800325y | Geranylgeranyl pyrophosphate synthase | 2 |
Data from ChEMBL 36 via Core Engine